Mol:FL5FAAGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -3.2330    0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2330   -0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5185   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8041   -0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8041    0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5185    1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0896   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3751   -0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3751    0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0896    1.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0896   -1.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3391    1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0673    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7955    1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7955    1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0673    2.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3391    1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5185   -1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9472    1.0467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4840   -0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4495   -0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9212   -1.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9543   -1.6106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0403   -1.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4495   -0.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4854    0.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3865   -0.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5234    2.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0295   -1.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9472   -2.3079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 20  1  0  0  0  0 
 21 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 22 27  1  0  0  0  0 
 27  8  1  0  0  0  0 
 15 28  1  0  0  0  0 
 29 30  1  0  0  0  0 
 24 29  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  33 
M  SMT   1 CH2OH 
M  SBV   1  33    0.0107    0.7238 
S  SKP  5 
ID	FL5FAAGS0001 
FORMULA	C20H18O10 
EXACTMASS	418.089996796 
AVERAGEMASS	418.35092 
SMILES	O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C1O 
M  END